Density functional studies of internal rotation: formamide as a prototype of the peptide bond
✍ Scribed by Martina Kieninger; Sándor Suhai
- Book ID
- 114142508
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 546 KB
- Volume
- 375
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
Internal rotations of benzanilide (BA) and 4-(4 0 -aminobenzamido)benzoic acid (AA) were investigated by density functional theory (DFT) calculations. B3LYP/6-31G\* optimization for both BA and AA structures gives non-planar trans structures as the most stable conformers with lower energy of 4.60 an
## Abstract Raman and IR experiments have been carried out on formamide (FA) and pyridine (Py) mixtures at different compositions. The appearance of a new Raman band at 996 cm^−1^ (ν~1~ region of Py), whose intensity depends on the FA concentration, is assigned to an FA:Py adduct and this result is